N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine

C20H19BrN4 — CID 112873893

IUPACN-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Br)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H19BrN4/c1-14-22-19(24-18-9-5-4-8-17(18)21)12-20(23-14)25-11-10-15-6-2-3-7-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyQWYJHLXZHKJQTA-UHFFFAOYSA-N
MW395.30 g/mol
LogP4.85
Rot. Bonds3

About N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine

N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 112873893) has the molecular formula C20H19BrN4 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
PubChem CID112873893
Molecular FormulaC20H19BrN4
Molecular Weight395.30 g/mol
Exact Mass394.08
IUPAC NameN-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Br)cc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H19BrN4/c1-14-22-19(24-18-9-5-4-8-17(18)21)12-20(23-14)25-11-10-15-6-2-3-7-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyQWYJHLXZHKJQTA-UHFFFAOYSA-N
XLogP4.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 112873848
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2,6-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873908
N-tert-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873827
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
1-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 112873889
N-(1,3-benzodioxol-5-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873895
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870536
6-(1,3-dihydroisoindol-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80822413
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872901

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine (CID 112873893) is N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2ccccc2Br)cc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is QWYJHLXZHKJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4/c1-14-22-19(24-18-9-5-4-8-17(18)21)12-20(23-14)25-11-10-15-6-2-3-7-16(15)13-25/h2-9,12H,10-11,13H2,1H3,(H,22,23,24).
What are the key properties of N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine?
N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 395.30 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112873893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).